[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0115 |
| Compound Name: | [5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C24 H24 N4 O6 S |
| Smiles: | CC1C(=CN(Cc2ccc(cc2)OC)S(N=1)(=O)=O)C(=O)OCc1nc(c2ccc(C)c(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.418 |
| logD: | 3.418 |
| logSw: | -3.712 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.568 |
| InChI Key: | CKXGKJKSRYYJRO-UHFFFAOYSA-N |